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Summary Geometry Related PDB entries

KNN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.48Å
N1	H1	sing	1.01Å	1.00Å
C1	C2	sing	1.51Å	1.54Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	C3	doub	1.38Å	1.41Å	Aromatic
C2	C7	sing	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C3	C8	sing	1.51Å	1.48Å
C4	C5	doub	1.38Å	1.42Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.38Å	1.37Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	doub	1.38Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
N1	H11	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	109.5°	111.0°
N1	C1	C2	109.9°	109.5°
N1	C1	H2	109.3°	109.4°
N1	C1	H3	109.3°	109.5°
C1	N1	H11	109.4°	111.0°
H1	N1	H11	109.5°	111.0°
C2	C1	H2	109.3°	109.5°
C2	C1	H3	109.3°	109.5°
C1	C2	C3	121.7°	120.0°
C1	C2	C7	117.9°	120.0°
H2	C1	H3	109.6°	109.5°
C3	C2	C7	120.2°	120.0°
C2	C3	C4	118.4°	120.0°
C2	C3	C8	121.3°	120.0°
C2	C7	C6	121.4°	120.0°
C2	C7	H7	119.3°	120.0°
C4	C3	C8	120.2°	120.0°
C3	C4	C5	120.1°	120.0°
C3	C4	H4	120.0°	120.0°
C3	C8	H8	109.5°	109.5°
C3	C8	H9	109.5°	109.5°
C3	C8	H10	109.5°	109.4°
C5	C4	H4	119.9°	120.0°
C4	C5	C6	121.7°	120.0°
C4	C5	H5	119.1°	120.0°
C6	C5	H5	119.1°	120.0°
C5	C6	C7	118.1°	120.0°
C5	C6	H6	120.9°	120.0°
C7	C6	H6	121.0°	120.0°
C6	C7	H7	119.3°	120.0°
H8	C8	H9	109.5°	109.5°
H8	C8	H10	109.5°	109.5°
H9	C8	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	H11	120.0°	124.0°
N1	C1	C2	H2	120.0°	120.0°
N1	C1	C2	H3	120.0°	120.0°
N1	C1	H2	H3	119.9°	120.0°
N1	C1	C2	C3	74.7°	80.0°
N1	C1	C2	C7	109.2°	100.3°
H1	N1	C1	C2	180.0°	56.1°
H1	N1	C1	H2	60.0°	176.0°
H1	N1	C1	H3	60.0°	64.0°
C2	C1	H2	H3	119.8°	120.0°
C1	C2	C3	C7	176.1°	179.7°
C1	C2	C3	C4	176.2°	180.0°
C1	C2	C3	C8	0.3°	0.0°
C1	C2	C7	C6	177.7°	179.8°
C1	C2	C7	H7	2.3°	0.1°
C2	C1	N1	H11	60.0°	180.0°
H2	C1	C2	C3	165.3°	40.0°
H2	C1	C2	C7	10.8°	139.7°
H2	C1	N1	H11	60.0°	60.0°
H3	C1	C2	C3	45.3°	160.0°
H3	C1	C2	C7	130.8°	19.7°
H3	C1	N1	H11	180.0°	60.0°
C2	C3	C4	C8	176.6°	179.9°
C2	C3	C4	C5	1.2°	0.0°
C2	C3	C4	H4	178.8°	180.0°
C3	C2	C7	C6	1.5°	0.5°
C3	C2	C7	H7	178.5°	179.8°
C2	C3	C8	H8	91.8°	90.0°
C2	C3	C8	H9	148.2°	150.0°
C2	C3	C8	H10	28.2°	30.1°
C7	C2	C3	C4	0.2°	0.2°
C7	C2	C3	C8	176.4°	179.7°
C2	C7	C6	C5	1.4°	0.5°
C2	C7	C6	H7	180.0°	179.7°
C2	C7	C6	H6	178.6°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.4°	0.0°
C3	C4	C5	H5	178.6°	179.9°
C4	C3	C8	H8	91.7°	90.0°
C4	C3	C8	H9	28.3°	30.0°
C4	C3	C8	H10	148.3°	150.0°
C8	C3	C4	C5	177.8°	179.9°
C8	C3	C4	H4	2.1°	0.1°
C3	C8	H8	H9	120.0°	120.0°
C3	C8	H8	H10	120.0°	120.0°
C3	C8	H9	H10	120.0°	119.9°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.1°	0.2°
C4	C5	C6	H6	179.9°	180.0°
H4	C4	C5	C6	178.6°	180.0°
H4	C4	C5	H5	1.4°	0.1°
C5	C6	C7	H6	180.0°	179.8°
C5	C6	C7	H7	178.6°	179.8°
H5	C5	C6	C7	179.9°	179.9°
H5	C5	C6	H6	0.1°	0.1°
H6	C6	C7	H7	1.4°	0.0°
H8	C8	H9	H10	120.0°	120.0°

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